SCHEMBL6964787

SCHEMBL6964787

COC(=O)C1(S(=O)(=O)N2CCC(c3ccc(-c4cccc(OCCNCc5ccccc5)c4)c(C)c3)CC2)CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.52
MMP3 P08254 8/20 0.52
MMP1 P03956 2/20 0.51
MMP9 P14780 2/20 0.51
MMP14 P50281 2/20 0.51
FFAR1 O14842 1/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
DRD4 P21917 2/20 0.37
VSIR Q9H7M9 1/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6964268 0.94 MMP2 (0.53) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7129632 0.89 MMP2 (0.52) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6437469 0.88 MMP2 (0.63) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6964791 0.88 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6433435 0.87 MMP2 (0.52) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6433636 0.86 MMP2 (0.55) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586377 0.85 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6439006 0.84 MMP2 (0.45) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6435026 0.84 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6434246 0.83 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181017-B1 METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-04-16 EP claimed
US-6511993-B1 Substituted alpha-aminosulphonyl-acetohydroxamic acids which are inhibitors of zinc-dependent metalloprotease enzymes PFIZER INC. 2003-01-28 US claimed